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EC number: 224-924-0 | CAS number: 4553-89-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard OECD test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- GLP compliance:
- no
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: FG/14-15/1097
- Expiration date of the lot/batch: December, 2023
- Purity test date: -
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 1. Ambient Temp (23 to 27 °C) √
2. In Refrigerator (4 °C)
3. In Freezer (-10 To 0 °C)
- Stability under test conditions: Stable in recommended storage conditions
- Solubility and stability of the test substance in the solvent/vehicle: -
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: - - Radiolabelling:
- no
- Details on study design: HPLC method:
- The solutions of the test substance and reference substances were prepared in the mobile phase. Each of the reference substance and test substance were analysed by HPLC at 210 nm.
After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed.
Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.
Chromatographic Conditions:
• HPLC Model No.: Agilent Technologies,1260 Infinity
• Flow Rate: 1.0ml/min
• Column: ZORBAX Eclipse Plus C18, 4.6×250mm, 5 µm
• Mobile phase : Methanol:water (55:45)
• Temperature: 25°C
• Detector: Diode Array Detector @210nm
• Injector: Autosampler
• Injector volume: 20µl
• Data Acquisition software: ChemStationOpen lab Control Panel
• Analysis time: 30min - Key result
- Type:
- log Koc
- Value:
- 3.259 dimensionless
- pH:
- 6.68
- Temp.:
- 25 °C
- Remarks on result:
- other: Reported as 3.259± 0.004
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The partition coefficient of test substance disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No.4553-89-3) was determined as per the HPLC method (OECD Guideline-12). The Log Koc value was found to be 3.259± 0.004 at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No. 4553-89-3)was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to estimated Kocrange of the test substance and generalized calibration graph was prepared. The reference substances were 4 chloroaniline, 4 methylaniline, N methylaniline, 2 Nitrophenol, Nitrobenzene, 4-Nitrobenzamide , N,N-dimethylbenzamide , N-methylbenzamide , Benzamide , phenanthrene having Kocvalue ranging from 1.239 to 4.09. The Log Kocvalue was determined to be 3.259± 0.004 at 25°C. This value indicates the chemical has Strong sorption to soil and sediment and negligible to slow migration potential to ground water
Reference
Reference substance |
Log Koc |
tR1 |
tR2 |
tR3 |
MeantR± S.D. |
k |
Log k |
Urea |
- |
2.367 |
2.368 |
2.365 |
2.366±0.001 |
- |
- |
Benzamide |
1.239 |
3.326 |
3.322 |
- |
3.324±0.002 |
0.4049 |
-0.392 |
N-methylbenzamide |
1.3 |
3.603 |
3.608 |
- |
3.6055±0.003 |
0.5238 |
-0.28 |
4-Nitrobenzamide |
1.43 |
3.744 |
3.751 |
- |
3.7475±0.004 |
0.5838 |
-0.233 |
N,N-dimethylbenzamide |
1.52 |
4.294 |
4.296 |
- |
4.295±0.001 |
0.8153 |
-0.088 |
4-methylaniline(p-Tolouidine) |
1.9 |
5.192 |
5.2 |
- |
5.196±0.001 |
1.196 |
0.077 |
4-chloroaniline |
1.96 |
6.072 |
6.068 |
- |
6.07±0.005 |
1.5655 |
0.194 |
N-methylaniline |
2.28 |
6.548 |
6.559 |
- |
6.5535±0.002 |
1.7698 |
0.247 |
Nitrobenzene |
2.35 |
7.703 |
7.697 |
- |
7.7±0.004 |
2.254 |
0.352 |
2 - nitrophenol |
2.47 |
7.558 |
7.551 |
- |
7.5545±0.004 |
2.192 |
0.34 |
phenanthrene |
4.09 |
128.943 |
128.869 |
- |
128.906±0.052 |
53.482 |
1.728 |
Test substance disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene] bis(azo)]bisnaphthalene-1-sulphonate |
K |
Log k |
Log Koc by Calibration Graph |
Mean of LogKoc± S.D. |
|
tR1 |
2.162 |
-0.086 |
1.065 |
3.263 |
3.259± 0.004 |
tR2 |
2.161 |
-0.087 |
1.060 |
3.256 |
Description of key information
The
partition coefficient of test substance disodium
4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
(CAS No.4553-89-3) was determined as per the HPLC method (OECD
Guideline-12). The Log Koc value was found to be 3.259± 0.004 at 25°C.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 815.515
Additional information
Data available for target Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate for the endpoint Adsorption are summarized as follows:
In key study, The partition Coefficient n-octanol/water of disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No. 4553-89-3) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to estimated Kocrange of the test substance and generalized calibration graph was prepared. The reference substances were 4 chloroaniline, 4 methylaniline, N methylaniline, 2 Nitrophenol, Nitrobenzene, 4-Nitrobenzamide , N,N-dimethylbenzamide , N-methylbenzamide , Benzamide , phenanthrene having Kocvalue ranging from 1.239 to 4.09. The Log Koc value was determined to be 3.259± 0.004 at 25°C. This value indicates the chemical has Strong sorption to soil and sediment and negligible to slow migration potential to ground water.
Further supporting the above data, Soil Adsorption Coefficient i.e Log Koc value of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) was estimated as 6.4217 (i.e. Koc:2640000 L/kg) by means of MCI method. This indicates that Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) has very strong sorption to soil and sediment and negligible migration potential to groundwater.
Based on the above data, it is concluded that Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) has Strong sorption to soil and sediment and negligible to slow migration potential to ground water.
[LogKoc: 3.259]
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